logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


NCID-ZINC05812098

 MMsINC code: MMs02501308
Type: Neutral
Formula: C14H20O7
SMILES:   O1C(C(O)C(O)C1CO)c1c(cc(OC)cc1OC)CO
InChI:   InChI=1/C14H20O7/c1-19-8-3-7(5-15)11(9(4-8)20-2)14-13(18)12(17)10(6-16)21-14/h3-4,10,12-18H,5-6H2,1-2H3/t10-,12+,13-,14-/m0/s1

Download   format file 
Drug Similarity  |  Similarity to PDB ligands  
This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=128.387 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 300.307 g/mol  logS: -0.91408  SlogP: -0.288  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.135493  Sterimol/B1: 4.03966  Sterimol/B2: 4.38446  Sterimol/B3: 4.94248
  Sterimol/B4: 6.74863  Sterimol/L: 14.2217 
 
 Surface and Volume Properties
  Accessible surface: 515.462  Positive charged surface: 416.317  Negative charged surface: 99.1445  Volume: 271
  Hydrophobic surface: 319.031  Hydrophilic surface: 196.431
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.